Crystallography Open Database

Information card for entry 4116921

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Coordinates	4116921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 Cd0.5 N O2
Calculated formula	C28 H20 Cd N2 O4
Title of publication	Supramolecular Engineering of Chiral and Acentric 2D Networks. Synthesis, Structures, and Second-Order Nonlinear Optical Properties of Bis(nicotinato)zinc and Bis{3-[2-(4-pyridyl)ethenyl]benzoato}cadmium
Authors of publication	Wenbin Lin; Owen R. Evans; Ren-Gen Xiong; Zhiyong Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	1998
Journal volume	120
Pages of publication	13272 - 13273
a	20.6215 ± 0.0004 Å
b	36.4257 ± 0.0002 Å
c	6.2408 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	4687.79 ± 0.12 Å³
Cell temperature	198 K
Ambient diffraction temperature	0 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0305
Goodness-of-fit parameter for significantly intense reflections	1.1784
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4116921.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116921.cif
73130	2013-02-08	cif/ Adding structures of 4116921 via cif-deposit CGI script.	4116921.cif